COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158517
Chemical Name: methyl(5Z)-2-(naphthalen-1-ylamino)-5-(3-nitrobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: COC(=O)C1=C(S/C(=C\c2cccc(c2)[N+](=O)[O-])/C1=O)Nc1cccc2c1cccc2

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Molecular Weight: 432.46
Empirical Formula: C23H16N2O5S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 5.42
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 4

     

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